Chemoinformaics analysis of 2-HYDROXY-2-PHENYLACETAMIDE


Molecular Weight 151.165 nRot 2
Heavy Atom Molecular Weight 142.093 nRig 7
Exact Molecular Weight 151.063 nRing 1
Solubility: LogS -1.272 nHRing 0
Solubility: LogP 0.155 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 20 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 11 No. of Aromatic Carbocycles 1
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 9 No. of Saturated Hetero Cycles 0
No. of Carbon atom 8 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 2 No. of Arom Bond 6
nHA 2 APOL 22.0651
nHD 2 BPOL 9.32686
QED 0.634
Synth 2.21
Natural Product Likeliness 0.015
NR-PPAR-gamma 0.006
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.942
HIA 0.039
CACO-2 -5.081
MDCK 0.000319988
BBB 0.993
PPB 0.257491
VDSS 0.836
FU 0.676421
CYP1A2-inh 0.078
CYP1A2-sub 0.103
CYP2c19-inh 0.035
CYP2c19-sub 0.274
CYP2c9-inh 0.012
CYP2c9-sub 0.217
CYP2d6-inh 0.008
CYP2d6-sub 0.284
CYP3a4-inh 0.006
CYP3a4-sub 0.221
CL 2.897
T12 0.379
hERG 0.028
Ames 0.017
ROA 0.013
SkinSen 0.174
Carcinogencity 0.015
EI 0.478
Respiratory 0.028
NR-Aromatase 0.004
Antiviral No
Prediction 0.878355